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2-methyl-6-phytyl-1,4-benzene-1,4-diol

PropertiesImage
MNX_IDMNXM1369058 Image of MNXM1369058
referencechebi:75920
formulaC27H46O2
global charge0
mol weight402.663
InChIKeyGTWCNYRFOZKWTL-UOFXASEASA-N
InChIInChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+/t21-,22-/m1/s1
SMILESCC1=C(O)C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=CC(O)=C1
MNX internals
InChI (mnx)InChI=1/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3/b23-16+/t21-,22-/m1/s1 Image of MNXM1369058
SMILES (mnx)[CH3:1][CH:20]([CH3:2])[CH2:10][CH2:7][CH2:11][C@@H:21]([CH3:3])[CH2:12][CH2:8][CH2:13][C@@H:22]([CH3:4])[CH2:14][CH2:9][CH2:15]/[C:23]([CH3:5])=[CH:16]/[CH2:17][C:25]1=[C:27]([OH:29])[C:24]([CH3:6])=[CH:18][C:26]([OH:28])=[CH:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75920
chebi:75920
GTWCNYRFOZKWTL-UOFXASEASA-N 		2-methyl-6-phytyl-1,4-benzene-1,4-diol
(R,R)-2-methyl-6-phytylhydroquinone
(R,R)-2-methyl-6-phytylquinol
2-methyl-6-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol
6-phytyltoluquinol
hmdb:HMDB0038959
GTWCNYRFOZKWTL-UOFXASEASA-N 		2-Methyl-6-phytylhydroquinone
(R,R)-2-Methyl-6-phytylquinol
2-Methyl-6-phytyl-1,4-benzene-1,4-diol
2-Methyl-6-phytyl-1,4-benzoquinol
2-Methyl-6-phytyl-1,4-hydroquinone
2-Methyl-6-phytylbenzene-1,4-diol
2-Methyl-6-phytylquinol
2-methyl-6-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]benzene-1,4-diol
2-methyl-6-phytylquinol
6-Phytyltoluquinol
MPBQ

kegg.compound:C15882
keggC:C15882
GTWCNYRFOZKWTL-UOFXASEASA-N 		2-Methyl-6-phytylquinol
2-Methyl-6-phytyl-1,4-benzoquinol
2-Methyl-6-phytyl-1,4-hydroquinone
2-Methyl-6-phytylbenzene-1,4-diol

seed.compound:cpd14613
seedM:cpd14613
GTWCNYRFOZKWTL-UOFXASEASA-N 		2-Methyl-6-phytylquinol
2-Methyl-6-phytyl-1,4-benzoquinol
2-Methyl-6-phytyl-1,4-hydroquinone
2-Methyl-6-phytylbenzene-1,4-diol
2-methyl-6-phytyl-1,4-benzoquinol

metacyc.compound:MPBQ
metacycM:MPBQ
GTWCNYRFOZKWTL-UOFXASEASA-N 		2-methyl-6-phytyl-1,4-benzoquinol

hmdb:HMDB38959
keggC:M_C15882
seedM:M_cpd14613 		secondary/obsolete/fantasy identifier